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用珀和格罗马克进行全原子和粗粒度分子动力学模拟的实用指南:对二硫化物键对内在无序的粉样β蛋白的影响的案例研究

Pamela Smardz1, Midhun Mohan Anila1, Paweł Rogowski1

  • 1Institute of Physics Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw, Poland.

International journal of molecular sciences
|June 27, 2024
PubMed
概括

使用珀和格罗马克的计算方法有效地研究内在无序蛋白质 (IDP). 粉样β 42 (Aβ42) 中的二硫化键降低了β含量,但增加了纤维形成的趋势.

关键词:
这是一个珀珀.马蒂尼酒是马蒂尼酒的一种."西拉"就是西拉.全原子力场的全部原子力场.氨基βββββββββββββββββββββββββ粗粒度的力场是粗粒度的力场.本质上是无序的蛋白质.分子动力学分子动力学分子建模分子建模模拟协议 模拟协议

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